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1,5-Dimethylnaphthalene - >97.0%(GC), high purity , CAS No.571-61-9

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1,5-Dimethylnaphthalene - >97.0%(GC), high purity , CAS No.571-61-9

COA

Grade & Purity:

≥97%(GC)

Cas Number: 571-61-9
Molecular Weight: 156.23
Beilstein Registry Number: 5(4)1710
MDL number: MFCD00004038
PubChem CID: 11306
PubChem SID: 504752097

In stock

Item Number

D155021

Grouped product items
SKU	Size	Availability	Price
D155021-200mg	200mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$38.90
D155021-250mg	250mg	2	$43.90
D155021-1g	1g	2	$134.90

View related series

aromatic hydrocarbon (251) Non heterocyclic block (8163)

Basic Description

Synonyms	D0748 \| EINECS 209-338-5 \| NSC 59388 \| 1,5-DMN \| MFCD00004038 \| UNII-60CM3233U9 \| BDBM50159247 \| STL280252 \| 5-(TRIFLUOROMETHYL)-2-FUROICACID,97 \| DTXSID0060351 \| 1,5-DIMETHYLNAPHTHALENE \| 1,5-dimethyl-naphthalene \| Naphthalene,5-dimethyl- \| NSC59388 \| CH
Specifications & Purity	≥97%(GC)
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Naphthalenes

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Naphthalenes
Subclass	Not available
Intermediate Tree Nodes	Not available
Direct Parent	Naphthalenes
Alternative Parents	Aromatic hydrocarbons Polycyclic hydrocarbons Unsaturated hydrocarbons
Molecular Framework	Aromatic homopolycyclic compounds
Substituents	Naphthalene - Aromatic hydrocarbon - Polycyclic hydrocarbon - Unsaturated hydrocarbon - Hydrocarbon - Aromatic homopolycyclic compound
Description	This compound belongs to the class of organic compounds known as naphthalenes. These are compounds containing a naphthalene moiety, which consists of two fused benzene rings.
External Descriptors	dimethylnaphthalene
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Associated Targets(Human)

CYP1A2 Tchem Cytochrome P450 1A2 (26471 Activities)

Discover Target: CYP1A2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CYP2A6 Tchem Cytochrome P450 2A6 (2861 Activities)

Discover Target: CYP2A6

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Associated Targets(non-human)

Cyp2a5 Cytochrome P450 2A5 (126 Activities)

Discover Target: Cyp2a5

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Mechanism of Action	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	References

Names and Identifiers

Pubchem Sid	504752097
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504752097
IUPAC Name	1,5-dimethylnaphthalene
INCHI	InChI=1S/C12H12/c1-9-5-3-8-12-10(2)6-4-7-11(9)12/h3-8H,1-2H3
InChIKey	SDDBCEWUYXVGCQ-UHFFFAOYSA-N
Smiles	CC1=C2C=CC=C(C2=CC=C1)C
Isomeric SMILES	CC1=C2C=CC=C(C2=CC=C1)C
Molecular Weight	156.23
Beilstein	5(4)1710
Reaxy-Rn	2039843
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2039843&ln=

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

5 results found

Lot Number	Certificate Type	Date	Item
C2401226	Certificate of Analysis	Jan 25, 2024	D155021
E2227377	Certificate of Analysis	May 16, 2022	D155021
E2227360	Certificate of Analysis	May 16, 2022	D155021
E2227395	Certificate of Analysis	Mar 22, 2022	D155021
E2227396	Certificate of Analysis	Mar 17, 2022	D155021

Chemical and Physical Properties

Solubility	Solubility in Toluene almost transparency
Boil Point(°C)	267°C(lit.)
Melt Point(°C)	79-83°C
Molecular Weight	156.220 g/mol
XLogP3	4.400
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	0
Exact Mass	156.094 Da
Monoisotopic Mass	156.094 Da
Topological Polar Surface Area	0.000 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	132.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

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